Found 421 hits of ic50 for UniProtKB: Q00613 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610355
(N-(5-amino-2-((dimethylamino)methyl)phenyl)-2-meth...) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610135
((R)-N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbox...)Show SMILES CN1CC[C@H](C1)Oc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234074
(CHEMBL4070633 | US9701664, Example 39)Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human U20S cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addit... |
J Med Chem 60: 180-201 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234074
(CHEMBL4070633 | US9701664, Example 39)Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human U20S cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addit... |
J Med Chem 60: 180-201 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610145
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCCN3CCCC3)ccc2c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610136
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES CN1CCC(CC1)Oc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610253
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1cc(F)c2ncccc2c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610133
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1cnc2ccccc2c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610132
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2cnccc2c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610137
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES CN(C)CCCOc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610355
(N-(5-amino-2-((dimethylamino)methyl)phenyl)-2-meth...) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234073
(CHEMBL4063330 | US9701664, Example 1)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C26H21N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h2-10,13-15H,11-12H2,1H3,(H,28,30)(H,29,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234082
(CHEMBL4088624 | US9701664, Example 52)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCCN3CCCCC3)ccc2c1 Show InChI InChI=1S/C34H36N4O5/c1-23-6-10-27(35-33(39)26-8-12-30-31(21-26)42-19-18-41-30)22-29(23)37-34(40)25-7-11-28-24(20-25)9-13-32(36-28)43-17-5-16-38-14-3-2-4-15-38/h6-13,20-22H,2-5,14-19H2,1H3,(H,35,39)(H,37,40) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234078
(CHEMBL4087666 | US9701664, Example 63)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1 Show InChI InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610143
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCCC3)ccc2c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234090
(CHEMBL4069552 | US9701664, Example 2)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ccncc2c1 Show InChI InChI=1S/C26H21N3O4/c1-16-2-6-21(28-25(30)19-5-7-23-24(13-19)33-11-10-32-23)14-22(16)29-26(31)18-4-3-17-8-9-27-15-20(17)12-18/h2-9,12-15H,10-11H2,1H3,(H,28,30)(H,29,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610022
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES COCCOc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610162
((S)-N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbox...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CC[C@H](F)C3)ccc2c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610140
((S)-N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbox...)Show SMILES CN1CCC[C@H]1COc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610140
((S)-N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbox...)Show SMILES CN1CCC[C@H]1COc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234074
(CHEMBL4070633 | US9701664, Example 39)Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610135
((R)-N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbox...)Show SMILES CN1CC[C@H](C1)Oc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610256
(N-(2-bromo-5-(2,3-dihydrobenzo[b][1,4]dioxine-6-ca...)Show SMILES Brc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ncccc2c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610181
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES CNCCCOc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610377
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Fc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCCN3CCCC3)ccc2c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610143
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCCC3)ccc2c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610136
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES CN1CCC(CC1)Oc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610137
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES CN(C)CCCOc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610023
(N-(4-methyl-3-(2-oxo-2H-chromene-6-carboxamido)phe...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2oc(=O)ccc2c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610128
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1cnc2cnccc2c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234082
(CHEMBL4088624 | US9701664, Example 52)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCCN3CCCCC3)ccc2c1 Show InChI InChI=1S/C34H36N4O5/c1-23-6-10-27(35-33(39)26-8-12-30-31(21-26)42-19-18-41-30)22-29(23)37-34(40)25-7-11-28-24(20-25)9-13-32(36-28)43-17-5-16-38-14-3-2-4-15-38/h6-13,20-22H,2-5,14-19H2,1H3,(H,35,39)(H,37,40) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610167
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES CC(COc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C)N1CCCC1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610132
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2cnccc2c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610133
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1cnc2ccccc2c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234073
(CHEMBL4063330 | US9701664, Example 1)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C26H21N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h2-10,13-15H,11-12H2,1H3,(H,28,30)(H,29,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi... |
J Med Chem 60: 180-201 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234073
(CHEMBL4063330 | US9701664, Example 1)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C26H21N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h2-10,13-15H,11-12H2,1H3,(H,28,30)(H,29,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi... |
J Med Chem 60: 180-201 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234085
(CHEMBL4102297 | US9701664, Example 89)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN)ccc2c1 Show InChI InChI=1S/C28H26N4O5/c1-17-2-6-21(30-27(33)20-4-8-24-25(15-20)36-13-12-35-24)16-23(17)32-28(34)19-3-7-22-18(14-19)5-9-26(31-22)37-11-10-29/h2-9,14-16H,10-13,29H2,1H3,(H,30,33)(H,32,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610376
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Fc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCCN3CCCCC3)ccc2c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610144
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCCN3CCOCC3)ccc2c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610149
(2-(2-(azetidin-1-yl)ethoxy)-N-(5-(2,3-dihydrobenzo...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCC3)ccc2c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610145
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCCN3CCCC3)ccc2c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610358
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES CN1c2ccc(cc2CS1(=O)=O)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610253
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1cc(F)c2ncccc2c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234073
(CHEMBL4063330 | US9701664, Example 1)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C26H21N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h2-10,13-15H,11-12H2,1H3,(H,28,30)(H,29,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610147
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES CN(C)CCN(C)c1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610148
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(CCN3CCCC3)ccc2c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610030
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ncncc2c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610255
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES COCc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234085
(CHEMBL4102297 | US9701664, Example 89)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN)ccc2c1 Show InChI InChI=1S/C28H26N4O5/c1-17-2-6-21(30-27(33)20-4-8-24-25(15-20)36-13-12-35-24)16-23(17)32-28(34)19-3-7-22-18(14-19)5-9-26(31-22)37-11-10-29/h2-9,14-16H,10-13,29H2,1H3,(H,30,33)(H,32,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610150
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES CC1CCCN1CCOc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this
Ligand-Target Pair | |
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